input word = C00035457

Metabolite InformationStructural formula
Name 11alpha-O-tigloyl-12beta-O-Acetyltenacigenin B
Formula C28H40O7
Mw 488.27740363
CAS RN 154022-51-2
C_ID C00035457 ,
InChIKey XDHLAESUIKYUHC-FMNQJSFENA-N
InChICode InChI=1S/C28H40O7/c1-7-15(2)24(32)34-21-22-25(5)11-9-19(31)14-18(25)8-12-27(22)28(35-27)13-10-20(16(3)29)26(28,6)23(21)33-17(4)30/h7,18-23,31H,8-14H2,1-6H3/b15-7+/t18-,19-,20-,21-,22+,23+,25-,26-,27-,28+/m0/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@]3(CC2)[C@@]2([C@]([C@@H]([C@H]1OC(=O)/C(=C/C)/C)OC(=O)C)([C@@H](CC2)C(=O)C)C)O3)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia tenacissima Ref.
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OrganismMarsdenia tenacissima
ReferenceDeng,Phytochem.,66,(2005),1040